N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine

C14H18N2S — CID 63830404

IUPACN-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESCc1cccc(CNCCc2cscn2)c1C
InChIInChI=1S/C14H18N2S/c1-11-4-3-5-13(12(11)2)8-15-7-6-14-9-17-10-16-14/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyJGKHFIXCQHKCQU-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.09
Rot. Bonds5

About N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine

N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63830404) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63830404
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESCc1cccc(CNCCc2cscn2)c1C
InChIInChI=1S/C14H18N2S/c1-11-4-3-5-13(12(11)2)8-15-7-6-14-9-17-10-16-14/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyJGKHFIXCQHKCQU-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 112554922
2-bromo-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829529
2-methyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 63824138
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829177
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
N-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 42401565
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine
CID 63824853
N-[(4-bromo-3-methylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 66473626
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
N-[(2,3-dimethylphenyl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64547915
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 115596018

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (CID 63830404) is N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is Cc1cccc(CNCCc2cscn2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is JGKHFIXCQHKCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-4-3-5-13(12(11)2)8-15-7-6-14-9-17-10-16-14/h3-5,9-10,15H,6-8H2,1-2H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63830404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).